SCHEMBL856136

SCHEMBL856136

Cc1c(-c2cnc(N)nc2)nc(Nc2ccc(N3CCNCC3)nc2)nc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
CDK4 P11802 2/20 0.44
CSF1R P07333 1/20 0.44
CDK6 Q00534 1/20 0.44
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
PIK3CA P42336 4/20 0.42
ALOX5AP P20292 1/20 0.42
POLB P06746 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
CHEK1 O14757 1/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL855795 0.90 MTOR (0.46) PIK3CDJAK1JAK3PIK3CAALOX5AP
SCHEMBL881133 0.82 PIK3CA (0.54) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL2816515 0.75 PIK3CA (0.73) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL881134 0.74 PIK3CA (0.47) PIK3CDCDK4CSF1RCDK6KCNH2
SCHEMBL855725 0.73 PIK3CA (0.54) PIK3CDJAK1JAK3PIK3CAPIK3CB
SCHEMBL881112 0.73 PIK3CA (0.54) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL855470 0.73 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL4524965 0.70 BRD4 (0.49) KCNH2CACNA1CASIC3SRCACVR1
SCHEMBL31271106 0.69 CSF1R (0.60) CSF1R
SCHEMBL10327804 0.69 PIK3CA (0.65) PIK3CDPIK3CAPIK3CBMTORPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A PIK3CD 7/4885CDK4 355/4885CSF1R 979/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.